Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral

Sulfathiazole is an antimicrobial belonging to the family of sulfonamides, which were the first antibiotics to be discovered. Sulfathiazole is generally administered orally, and its main disadvantage is that it has low aqueous solubility, requiring high doses for its administration. This fact has le...

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Autores: Moreno-Domínguez, Eugenia, Borrego-Sánchez, Ana, Sánchez Espejo, Rita, Viseras, César, Sainz-Díaz, C. Ignacio
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/343714
Acceso en línea:http://hdl.handle.net/10261/343714
Access Level:acceso abierto
Palabra clave:Sulfathiazole
Clay minerals
Montmorillonite
Drug delivery system
Solubility
Computational calculations
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spelling Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay MineralMoreno-Domínguez, EugeniaBorrego-Sánchez, AnaSánchez Espejo, RitaViseras, CésarSainz-Díaz, C. IgnacioSulfathiazoleClay mineralsMontmorilloniteDrug delivery systemSolubilityComputational calculationsSulfathiazole is an antimicrobial belonging to the family of sulfonamides, which were the first antibiotics to be discovered. Sulfathiazole is generally administered orally, and its main disadvantage is that it has low aqueous solubility, requiring high doses for its administration. This fact has led to side effects and the generation of bacterial resistance to the drug over time. The improvement of its solubility would mean not having to administer such high doses in its treatment. At the same time, montmorillonite is a natural, low-cost, non-toxic, biocompatible clay with a high adsorption capacity. It is potentially useful as a nanocarrier to design sulfathiazole dosage forms. In this work, the interaction between the drug and the clay mineral has been studied from an experimental and computational atomistic point of view to improve the drug’s biopharmaceutical profile. The results showed the potential enhancement of the drug solubility due to the correct adsorption of the sulfathiazole in the clay interlayer space. As a result of the inclusion of sulfathiazole in the interlayer of the clay mineral, the solubility of the drug increased by 220% concerning the pristine drug. Experimentally, it was not possible to know the number of drug molecules adsorbed in the interlayer space or the external surface of the carrier. Theoretical studies will enable the knowledge of the stoichiometry of the drug/clay hybrids, with three molecules in the interlayer space being the most favorable process. The resultant basal spacing was in agreement with the experimental results.This research was funded by Andalusian Government, project P18-RT-3786. Authors thanks to the Andalusian Government for the financial support, and the CSIC computational Center.Multidisciplinary Digital Publishing InstituteJunta de AndalucíaConsejo Superior de Investigaciones Científicas (España)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2024202420232024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/343714reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.3390/pharmaceutics15020575Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3437142026-05-22T06:33:51Z
dc.title.none.fl_str_mv Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
title Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
spellingShingle Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
Moreno-Domínguez, Eugenia
Sulfathiazole
Clay minerals
Montmorillonite
Drug delivery system
Solubility
Computational calculations
title_short Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
title_full Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
title_fullStr Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
title_full_unstemmed Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
title_sort Experimental and Computational Study for the Design of Sulfathiazole Dosage Form with Clay Mineral
dc.creator.none.fl_str_mv Moreno-Domínguez, Eugenia
Borrego-Sánchez, Ana
Sánchez Espejo, Rita
Viseras, César
Sainz-Díaz, C. Ignacio
author Moreno-Domínguez, Eugenia
author_facet Moreno-Domínguez, Eugenia
Borrego-Sánchez, Ana
Sánchez Espejo, Rita
Viseras, César
Sainz-Díaz, C. Ignacio
author_role author
author2 Borrego-Sánchez, Ana
Sánchez Espejo, Rita
Viseras, César
Sainz-Díaz, C. Ignacio
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Junta de Andalucía
Consejo Superior de Investigaciones Científicas (España)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Sulfathiazole
Clay minerals
Montmorillonite
Drug delivery system
Solubility
Computational calculations
topic Sulfathiazole
Clay minerals
Montmorillonite
Drug delivery system
Solubility
Computational calculations
description Sulfathiazole is an antimicrobial belonging to the family of sulfonamides, which were the first antibiotics to be discovered. Sulfathiazole is generally administered orally, and its main disadvantage is that it has low aqueous solubility, requiring high doses for its administration. This fact has led to side effects and the generation of bacterial resistance to the drug over time. The improvement of its solubility would mean not having to administer such high doses in its treatment. At the same time, montmorillonite is a natural, low-cost, non-toxic, biocompatible clay with a high adsorption capacity. It is potentially useful as a nanocarrier to design sulfathiazole dosage forms. In this work, the interaction between the drug and the clay mineral has been studied from an experimental and computational atomistic point of view to improve the drug’s biopharmaceutical profile. The results showed the potential enhancement of the drug solubility due to the correct adsorption of the sulfathiazole in the clay interlayer space. As a result of the inclusion of sulfathiazole in the interlayer of the clay mineral, the solubility of the drug increased by 220% concerning the pristine drug. Experimentally, it was not possible to know the number of drug molecules adsorbed in the interlayer space or the external surface of the carrier. Theoretical studies will enable the knowledge of the stoichiometry of the drug/clay hybrids, with three molecules in the interlayer space being the most favorable process. The resultant basal spacing was in agreement with the experimental results.
publishDate 2023
dc.date.none.fl_str_mv 2023
2024
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/343714
url http://hdl.handle.net/10261/343714
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.3390/pharmaceutics15020575
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.811543

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